3-(4-chlorophenoxy)-1-benzothiophene

C14H9ClOS — CID 11322943

IUPAC3-(4-chlorophenoxy)-1-benzothiophene
SMILESClc1ccc(Oc2csc3ccccc23)cc1
InChIInChI=1S/C14H9ClOS/c15-10-5-7-11(8-6-10)16-13-9-17-14-4-2-1-3-12(13)14/h1-9H
InChIKeyZZKYYFHKSWYHMB-UHFFFAOYSA-N
MW260.75 g/mol
LogP5.35
Rot. Bonds2

About 3-(4-chlorophenoxy)-1-benzothiophene

3-(4-chlorophenoxy)-1-benzothiophene (PubChem CID 11322943) has the molecular formula C14H9ClOS and a molecular weight of 260.75 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-1-benzothiophene.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-1-benzothiophene
PubChem CID11322943
Molecular FormulaC14H9ClOS
Molecular Weight260.75 g/mol
Exact Mass260.01
IUPAC Name3-(4-chlorophenoxy)-1-benzothiophene
SMILESClc1ccc(Oc2csc3ccccc23)cc1
InChIInChI=1S/C14H9ClOS/c15-10-5-7-11(8-6-10)16-13-9-17-14-4-2-1-3-12(13)14/h1-9H
InChIKeyZZKYYFHKSWYHMB-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.75
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-1-benzothiophene?
The IUPAC name of 3-(4-chlorophenoxy)-1-benzothiophene (CID 11322943) is 3-(4-chlorophenoxy)-1-benzothiophene.
What is the SMILES notation for 3-(4-chlorophenoxy)-1-benzothiophene?
The canonical SMILES for 3-(4-chlorophenoxy)-1-benzothiophene is Clc1ccc(Oc2csc3ccccc23)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)-1-benzothiophene?
The InChIKey is ZZKYYFHKSWYHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClOS/c15-10-5-7-11(8-6-10)16-13-9-17-14-4-2-1-3-12(13)14/h1-9H.
What are the key properties of 3-(4-chlorophenoxy)-1-benzothiophene?
3-(4-chlorophenoxy)-1-benzothiophene has a molecular weight of 260.75 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-1-benzothiophene is sourced from PubChem (CID 11322943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).